Information card for entry 4003048

Structure parameters

• Formula: C4 H13 I3 N2 O Pb
• Calculated formula: C4 H13 I3 N2 O Pb
• Title of publication: Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films
• Authors of publication: Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5832
• a: 4.5723 ± 0.0002 Å
• b: 25.3424 ± 0.0011 Å
• c: 12.1782 ± 0.0005 Å
• α: 90°
• β: 96.075 ± 0.003°
• γ: 90°
• Cell volume: 1403.2 ± 0.1 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No